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Metoprolol
CAS: 37350-58-6 | C15H25NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
37350-58-6
Molecular Formula:
C15H25NO3
Molecular Mass:
267.37 g/mol
Names and Synonyms:
Metoprolol
2-Propanol, 1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-
1-[4-(2-Methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-2-propanol
1-Isopropylamino-3-[4-(2-methoxyethyl)phenoxy]-2-propanol
Metoprolol
CGP 2175
(±)-Metoprolol
dl-Metoprolol
(RS)-Metoprolol
Spesicor
Beatrolol
Seroken
Meijoprolol
Toprol
Metocard
Vazocardin
[2-Hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl](propan-2-yl)amine
1-[4-(2-Methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Identifiers:
SMILES:
COCCc1ccc(OCC(O)CNC(C)C)cc1
InChI:
InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
Key Properties
Melting Point
35 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 267.37 g/mol | CAS Common Chemistry |
| 267.36899999999997 g/mol | RDKit | |
| 267.18344366 g/mol | RDKit | |
| Canonical SMILES | OC(COC1=CC=C(C=C1)CCOC)CNC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IUBSYMUCCVWXPE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 35 °C | CAS Common Chemistry |
| Name | Metoprolol | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 50.72 Ų | RDKit |
| LogP | 1.6132 | RDKit |
| Molar Refractivity | 76.66250000000005 | RDKit |
